SCHEMBL4326262

SCHEMBL4326262

O=C(O)CCC(F)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 1/20 0.46
CPA3 P15088 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
MDM2 Q00987 1/20 0.44
GAA P10253 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11119075 0.82 MDM2 (0.46) ALDH1A1TSHRALKBH5MDM2L3MBTL1
SCHEMBL7649044 0.81 MAPK1 (0.45) ALDH1A1TSHRALKBH5MDM2GAA
SCHEMBL28515537 0.81 SLC6A2 (0.53) ALDH1A1ALKBH5MDM2L3MBTL1TDP1
SCHEMBL9017507 0.80 ALKBH5 (0.47) NR4A2ALDH1A1TSHRCPA3ALKBH5
SCHEMBL6821357 0.80 CPA3 (0.56) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL29029682 0.80 MDM2 (0.57) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL10779182 0.79 MDM2 (0.52) TSHRMDM2L3MBTL1TDP1RAB9A
Hydrochloric Acid SCHEMBL11517845 0.78 MAPT (0.56) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL8535917 0.78 TET2 (0.50) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL2761665 0.78 MAPT (0.56) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012173504-A2 METHOD FOR SYNTHESIS OF THE SUBSTITUTED AZETIDINONES AND INTERMEDIATES FOR THEIR SYNTHESIS Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2012-12-20 WO disclosed
WO-2009157019-A2 PROCESS FOR PREPARING EZETIMIBE USING NOVEL ALLYL INTERMEDIATES IND-SWIFT LABORATORIES LIMITED (IN) 2009-12-30 WO disclosed
EP-2007718-A2 PROCESSES FOR PREPARING EZETIMIBE AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION THEREOF Medichem, S.A. (ES) 2008-12-31 EP disclosed
EP-1971573-A2 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF EZETIMIBE Medichem S.A. (ES) 2008-09-24 EP disclosed
WO-2007144780-A2 PROCESSES FOR PREPARING EZETIMIBE AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION THEREOF MEDICHEM S.A. (US) 2007-12-21 WO disclosed
WO-2007119106-A2 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF EZETIMIBE MEDICHEM, S.A. (US) 2007-10-25 WO disclosed
WO-2007108007-A1 A PROCESS FOR THE PREPARATION OF EZETIMIBE VIA A NOVEL INTERMEDIATE UNICHEM LABORATORIES LIMITED (IN) 2007-09-27 WO disclosed